N-(2-chloro-4-methylphenyl)-2-{[7-fluoro-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-2-{[7-fluoro-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
N-(2-chloro-4-methylphenyl)-2-{[7-fluoro-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F367-0696 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-2-{[7-fluoro-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide |
| Molecular Weight: | 473.96 |
| Molecular Formula: | C22 H21 Cl F N5 O2 S |
| Smiles: | CC(C)CN1C(c2cc(ccc2n2c1nnc2SCC(Nc1ccc(C)cc1[Cl])=O)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7104 |
| logD: | 4.7102 |
| logSw: | -4.7669 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.035 |
| InChI Key: | JPTYSNBARIOMSK-UHFFFAOYSA-N |